Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics
Autor(a) principal: | |
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Data de Publicação: | 2023 |
Outros Autores: | , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
Texto Completo: | https://hdl.handle.net/1822/88065 |
Resumo: | Graphene has been extensively studied as nanofiller to produce ultra-strong and ductile metal nanocomposites but challenges such as poor adhesion at the metal–carbon interface have yet to be met. Carbon honeycombs (CHCs) are highly porous3D graphene networks that possess a very large surface area-to-volume ratio, an outstanding physical absorption capacity and notable mechanical properties.Herein, these recently synthetized 3D CHCs are introduced in copper as nano-fillers, and the mechanical properties of the nanocomposites, such as elastic modulus, tensile strength, failure strain, compressive strength, and critical strain,are obtained using molecular dynamics simulations. Three CHC lattice types are studied, and the metal–carbon interface is accurately modeled by using melting and recrystallization of the copper matrix around the nanofiller. Gains between28% and 50% are obtained for the Young’s modulus, while the tensile strength improved between 43% and 49%. Pullout tests reveal that the copper nanopillars that form by the filling of the honeycomb cells of CHC by copper atoms considerably increase the pullout force and are responsible for improvements in adhesion and in loading stress transfer. |
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Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamicsDinâmica molecularNanocompósitos de grafeno 3DPropriedades mecânicasNovas nanoestruturas de carbonocarbon honeycombs (CHCs)copper nanocompositesgraphenemechanical propertiesmolecular dynamicsEngenharia e Tecnologia::Engenharia dos MateriaisScience & TechnologyGraphene has been extensively studied as nanofiller to produce ultra-strong and ductile metal nanocomposites but challenges such as poor adhesion at the metal–carbon interface have yet to be met. Carbon honeycombs (CHCs) are highly porous3D graphene networks that possess a very large surface area-to-volume ratio, an outstanding physical absorption capacity and notable mechanical properties.Herein, these recently synthetized 3D CHCs are introduced in copper as nano-fillers, and the mechanical properties of the nanocomposites, such as elastic modulus, tensile strength, failure strain, compressive strength, and critical strain,are obtained using molecular dynamics simulations. Three CHC lattice types are studied, and the metal–carbon interface is accurately modeled by using melting and recrystallization of the copper matrix around the nanofiller. Gains between28% and 50% are obtained for the Young’s modulus, while the tensile strength improved between 43% and 49%. Pullout tests reveal that the copper nanopillars that form by the filling of the honeycomb cells of CHC by copper atoms considerably increase the pullout force and are responsible for improvements in adhesion and in loading stress transfer.This work was supported by FCT, through IDMEC, under LAETA (project no. UIDB/50022/2020); through Centro de Quimica Estrutural (CQE) (project nos. UIDB/00100/2020 and PTDC/QUI-QFI/28367/2017), under Institute of Molecular Sciences (project no. LA/P/0056/2020) and through IPC-Institute for Polymers and Composites. The first author gratefully acknowledges the financial support given by FCT in the context of (grant no. CEECINST/00156/2018).WileyUniversidade do MinhoFaria, Bruno Miguel SilvaSilvestre, NunoLopes, José N. Canongia Lopes2023-03-272023-03-27T00:00:00Zinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleapplication/pdfhttps://hdl.handle.net/1822/88065engBruno Faria, Nuno Silvestre and José N.C. Lopes; Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics, Advanced Engineering Materials, Volume 25, 13, 2023, 23001471438-16561527-264810.1002/adem.2023001472300147https://doi.org/10.1002/adem.202300147info:eu-repo/semantics/openAccessreponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos)instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãoinstacron:RCAAP2024-05-11T06:53:50Zoai:repositorium.sdum.uminho.pt:1822/88065Portal AgregadorONGhttps://www.rcaap.pt/oai/openairemluisa.alvim@gmail.comopendoar:71602024-05-11T06:53:50Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informaçãofalse |
dc.title.none.fl_str_mv |
Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics |
title |
Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics |
spellingShingle |
Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics Faria, Bruno Miguel Silva Dinâmica molecular Nanocompósitos de grafeno 3D Propriedades mecânicas Novas nanoestruturas de carbono carbon honeycombs (CHCs) copper nanocomposites graphene mechanical properties molecular dynamics Engenharia e Tecnologia::Engenharia dos Materiais Science & Technology |
title_short |
Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics |
title_full |
Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics |
title_fullStr |
Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics |
title_full_unstemmed |
Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics |
title_sort |
Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics |
author |
Faria, Bruno Miguel Silva |
author_facet |
Faria, Bruno Miguel Silva Silvestre, Nuno Lopes, José N. Canongia Lopes |
author_role |
author |
author2 |
Silvestre, Nuno Lopes, José N. Canongia Lopes |
author2_role |
author author |
dc.contributor.none.fl_str_mv |
Universidade do Minho |
dc.contributor.author.fl_str_mv |
Faria, Bruno Miguel Silva Silvestre, Nuno Lopes, José N. Canongia Lopes |
dc.subject.por.fl_str_mv |
Dinâmica molecular Nanocompósitos de grafeno 3D Propriedades mecânicas Novas nanoestruturas de carbono carbon honeycombs (CHCs) copper nanocomposites graphene mechanical properties molecular dynamics Engenharia e Tecnologia::Engenharia dos Materiais Science & Technology |
topic |
Dinâmica molecular Nanocompósitos de grafeno 3D Propriedades mecânicas Novas nanoestruturas de carbono carbon honeycombs (CHCs) copper nanocomposites graphene mechanical properties molecular dynamics Engenharia e Tecnologia::Engenharia dos Materiais Science & Technology |
description |
Graphene has been extensively studied as nanofiller to produce ultra-strong and ductile metal nanocomposites but challenges such as poor adhesion at the metal–carbon interface have yet to be met. Carbon honeycombs (CHCs) are highly porous3D graphene networks that possess a very large surface area-to-volume ratio, an outstanding physical absorption capacity and notable mechanical properties.Herein, these recently synthetized 3D CHCs are introduced in copper as nano-fillers, and the mechanical properties of the nanocomposites, such as elastic modulus, tensile strength, failure strain, compressive strength, and critical strain,are obtained using molecular dynamics simulations. Three CHC lattice types are studied, and the metal–carbon interface is accurately modeled by using melting and recrystallization of the copper matrix around the nanofiller. Gains between28% and 50% are obtained for the Young’s modulus, while the tensile strength improved between 43% and 49%. Pullout tests reveal that the copper nanopillars that form by the filling of the honeycomb cells of CHC by copper atoms considerably increase the pullout force and are responsible for improvements in adhesion and in loading stress transfer. |
publishDate |
2023 |
dc.date.none.fl_str_mv |
2023-03-27 2023-03-27T00:00:00Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
https://hdl.handle.net/1822/88065 |
url |
https://hdl.handle.net/1822/88065 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
Bruno Faria, Nuno Silvestre and José N.C. Lopes; Tensile and compressive behavior of CHC-Reinforced copper using molecular dynamics, Advanced Engineering Materials, Volume 25, 13, 2023, 2300147 1438-1656 1527-2648 10.1002/adem.202300147 2300147 https://doi.org/10.1002/adem.202300147 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
application/pdf |
dc.publisher.none.fl_str_mv |
Wiley |
publisher.none.fl_str_mv |
Wiley |
dc.source.none.fl_str_mv |
reponame:Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) instname:Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação instacron:RCAAP |
instname_str |
Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
instacron_str |
RCAAP |
institution |
RCAAP |
reponame_str |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
collection |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) |
repository.name.fl_str_mv |
Repositório Científico de Acesso Aberto de Portugal (Repositórios Cientìficos) - Agência para a Sociedade do Conhecimento (UMIC) - FCT - Sociedade da Informação |
repository.mail.fl_str_mv |
mluisa.alvim@gmail.com |
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1817545130310107136 |